(Q115785071)

English

3-[[(2R,3S,4R,5S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Kaempferol 3-(6''-malonylglucoside)

1 reference

based on heuristic

inferred from SMILES

mass

534.100955384 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

kaempferol 3-O-β-D-(6''-O-malonyl)-glucoside

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₂₂O₁₄

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canonical SMILES

O=C(O)CC(=O)OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=CC4)C(O)C(O)C1O

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isomeric SMILES

O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@@H]1O

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found in taxon

Humulus lupulus

1 reference

stated in

Metabolite profiling of flavonols and in vitro antioxidant activity of young shoots of wild Humulus lupulus L. (hop).

Phaseolus vulgaris

1 reference

stated in

The polyphenolic profiles of common bean (Phaseolus vulgaris L.).

Morus alba

1 reference

stated in

Identification and quantification of phenolic acids and flavonol glycosides in Tunisian Morus species by HPLC-DAD and HPLC–MS

Identifiers

InChI

InChI=1S/C24H22O14/c25-10-3-1-9(2-4-10)22-23(19(32)17-12(27)5-11(26)6-13(17)36-22)38-24-21(34)20(33)18(31)14(37-24)8-35-16(30)7-15(28)29/h1-6,14,18,20-21,24-27,31,33-34H,7-8H2,(H,28,29)/t14-,18-,20-,21+,24+/m1/s1

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InChIKey

XEXCLTHHXIWUHO-CFXCJESKSA-N

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2 references

21 December 2022

inferred from InChIKey

matched by identifier from

InChIKey

XEXCLTHHXIWUHO-CFXCJESKSA-N

(Q115785071)

3-[[(2R,3S,4R,5S,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

Statements

Identifiers

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